9-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(4-bromophenyl)-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(4-bromophenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(4-bromophenyl)-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C15H12BrClN4O3 MolecularWeight: 411.63778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C15H12BrClN4O3/c1-19-12-11(13(23)20(2)15(19)24)18-14(17)21(12)7-10(22)8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3